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	hartrees
Energy at 0K	-304.785716
Energy at 298.15K	-304.788079
HF Energy	-304.785716
Nuclear repulsion energy	125.423554

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1440	1371	187.99
2	A₁	937	892	224.19
3	A₁	685	652	10.59
4	B₁	824	785	16.42
5	B₂	1925	1833	525.64
6	B₂	632	602	2.41

Atom	y (Å)	z (Å)
N1	0.000	-0.164
F2	0.000	1.231
O3	1.084	-0.621
O4	-1.084	-0.621

	N1	F2	O3	O4
N1		1.3957	1.1759	1.1759
F2	1.3957		2.1460	2.1460
O3	1.1759	2.1460		2.1672
O4	1.1759	2.1460	2.1672

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	112.854		F2	N1	O4	112.854
O3	N1	O4	134.293

All results from a given calculation for FNO₂ (Nitryl fluoride)

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	N	0.883
2	F	-0.199
3	O	-0.342
4	O	-0.342

	x	y	z	Total
	0.000	0.000	0.219	0.219
CHELPG
AIM
ESP

<r²>	51.748
(<r²>)^1/2	7.194

All results from a given calculation for FNO2 (Nitryl fluoride)

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

All results from a given calculation for FNO₂ (Nitryl fluoride)